4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole

C18H19N5O3 — CID 141425388

IUPAC4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
SMILESCCOCc1coc(Cn2ncc(N3C=C(c4ccccc4)OC3)n2)n1
InChIInChI=1S/C18H19N5O3/c1-2-24-11-15-12-25-18(20-15)10-23-19-8-17(21-23)22-9-16(26-13-22)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyUNIABPXNRCNOEH-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.64
Rot. Bonds7

About 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole

4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole (PubChem CID 141425388) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
PubChem CID141425388
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
SMILESCCOCc1coc(Cn2ncc(N3C=C(c4ccccc4)OC3)n2)n1
InChIInChI=1S/C18H19N5O3/c1-2-24-11-15-12-25-18(20-15)10-23-19-8-17(21-23)22-9-16(26-13-22)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyUNIABPXNRCNOEH-UHFFFAOYSA-N
XLogP2.64
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole (CID 141425388) is 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole is CCOCc1coc(Cn2ncc(N3C=C(c4ccccc4)OC3)n2)n1.
What is the InChIKey of 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
The InChIKey is UNIABPXNRCNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-2-24-11-15-12-25-18(20-15)10-23-19-8-17(21-23)22-9-16(26-13-22)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole has a molecular weight of 353.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 141425388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).